Crystallography Open Database

Information card for entry 1556451

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Coordinates	1556451.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H55 Gd I2 N2 O2 P2 Si2
Calculated formula	C39 H55 Gd I2 N2 O2 P2 Si2
SMILES	C12P(c3ccccc3)(c3ccccc3)=[N]([Gd]2(I)(I)([N](=P1(c1ccccc1)c1ccccc1)[Si](C)(C)C)[O]1CCCC1)[Si](C)(C)C.O1CCCC1
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	16.1695 ± 0.0008 Å
b	19.5199 ± 0.0012 Å
c	14.1982 ± 0.0008 Å
α	90°
β	99.491 ± 0.005°
γ	90°
Cell volume	4420 ± 0.4 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0951
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.13
Weighted residual factors for all reflections included in the refinement	0.1518
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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.	1556451.cif