Crystallography Open Database

Information card for entry 1556457

Preview

Coordinates	1556457.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C164 H169 Er N6 P6
Calculated formula	C164 H169 Er N6 P6
SMILES	[Er]1234(C(P(c5ccccc5)(c5ccccc5)=[N]1c1c(cc(cc1C)C)C)P(c1ccccc1)(c1ccccc1)=[N]2c1c(cc(cc1C)C)C)C(P(c1ccccc1)(c1ccccc1)=[N]3c1c(cc(cc1C)C)C)P(c1ccccc1)(c1ccccc1)=[N]4c1c(cc(cc1C)C)C.C(=P(c1ccccc1)(c1ccccc1)[N-]c1c(cc(cc1C)C)C)P(c1ccccc1)(c1ccccc1)=Nc1c(cc(cc1C)C)C.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1
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	16.895 ± 0.003 Å
b	19.82 ± 0.004 Å
c	21.149 ± 0.004 Å
α	76.79 ± 0.03°
β	78.76 ± 0.03°
γ	83.9 ± 0.03°
Cell volume	6748 ± 2 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	0.0761
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.127
Weighted residual factors for all reflections included in the refinement	0.134
Goodness-of-fit parameter for all reflections included in the refinement	1.11
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.	1556457.cif