Crystallography Open Database

Information card for entry 1556463

Preview

Coordinates	1556463.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H117 Gd N4 P4
Calculated formula	C93 H93 Gd N4 P4
SMILES	C12P(c3ccccc3)(c3ccccc3)=[N](c3c(cc(cc3C)C)C)[Gd]342([N](=P1(c1ccccc1)c1ccccc1)c1c(cc(cc1C)C)C)[N](=P(C4P(=[N]3c1c(cc(C)cc1C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1c(cc(cc1C)C)C.c1ccc(C)cc1
Title of publication	Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides
Authors of publication	Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.
Journal of publication	Inorganics
Year of publication	2013
Journal volume	1
Pages of publication	46 - 69
a	14.735 ± 0.0008 Å
b	15.2646 ± 0.001 Å
c	21.6185 ± 0.0013 Å
α	70.916 ± 0.006°
β	75.272 ± 0.005°
γ	77.458 ± 0.005°
Cell volume	4396.2 ± 0.5 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1632
Residual factor for significantly intense reflections	0.1208
Weighted residual factors for significantly intense reflections	0.2985
Weighted residual factors for all reflections included in the refinement	0.3309
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
244949 (current)	2019-12-09	cif/ Adding structures of 1556450, 1556451, 1556452, 1556453, 1556454, 1556455, 1556456, 1556457, 1556458, 1556459, 1556460, 1556461, 1556462, 1556463 via cif-deposit CGI script.	1556463.cif