Crystallography Open Database

Information card for entry 1556452

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Coordinates	1556452.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H55 I2 N2 O2 P2 Si2 Tb
Calculated formula	C39 H55 I2 N2 O2 P2 Si2 Tb
SMILES	C12P(c3ccccc3)(c3ccccc3)=[N]([Tb]1(I)(I)([N](=P2(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	16.142 ± 0.002 Å
b	19.415 ± 0.003 Å
c	14.134 ± 0.002 Å
α	90°
β	99.341 ± 0.002°
γ	90°
Cell volume	4370.8 ± 1.1 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	0.0468
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.1101
Weighted residual factors for all reflections included in the refinement	0.1144
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	1556452.cif