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2009src1087 - C36H81N3NdO12P3

Sample Originator: Andrew Platta.

Data Collection: Peter N. Hortonb

Structure Determination: Peter N. Hortonb and Michael B. Hursthouseb.

Staffordshire Universitya
University of Southamptonb

C36H81N3NdO12P3

InChI=1/3C12H28OP.H2NO3.2HNO3.Nd/c3*1-10(2)7-14(13,8-11(3)4)9-12(5)6;3*2-1(3)4;/h3*10-12,14H,7-9H2,1-6H3;(H2,2,3,4);(H-,2,3,4);2H;/q3*-1;;-1;-2;+6

Identification Number:10.5258/ecrystals/1239
Controlled Keywords:lanthanide coordination, organophosphorus ligands
Date Created:07 October 2009
Deposited On:25 Jan 2010 10:24
Deposited By:Dr Peter N Horton

Depositor Comments

User Refcode:- Nd iBu

Data collection parameters

Chemical formulaC36 H81 N3 Nd O12 P3
Crystal morphologyCut Block
Crystal systemOrthorhombic
Space group symbolP2(1)2(1)2(1)
Cell length a14.3298(5)
Cell length b14.4760(5)
Cell length c23.9774(9)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit61.57
R Factor (Obs)0.0789
R Factor (All)0.0798
Weighted R Factor (Obs)0.1834
Weighted R Factor (All)0.1839

Citation: Platt, Andrew and Horton, Peter N. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1239)
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