Crystallography Open Database

Information card for entry 1556455

Preview

Coordinates	1556455.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H75 I2 N2 O P2 Yb
Calculated formula	C47 H51 I2 N2 O P2 Yb
SMILES	[Yb]12(C(P(c3ccccc3)(c3ccccc3)=[N]1c1c(cc(cc1C)C)C)P(c1ccccc1)(c1ccccc1)=[N]2c1c(cc(cc1C)C)C)(I)(I)[O]1CCCC1
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	12.209 ± 0.003 Å
b	13.057 ± 0.003 Å
c	17.56 ± 0.005 Å
α	80.744 ± 0.004°
β	75.234 ± 0.004°
γ	77.456 ± 0.004°
Cell volume	2625.7 ± 1.2 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1439
Residual factor for significantly intense reflections	0.1097
Weighted residual factors for significantly intense reflections	0.2865
Weighted residual factors for all reflections included in the refinement	0.3027
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	1556455.cif