Crystallography Open Database

Information card for entry 7035853

Preview

Coordinates	7035853.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H62 Cu N2 P Si2
Calculated formula	C40 H62 Cu N2 P Si2
SMILES	[Cu](P([Si](C)(C)C)[Si](C)(C)C)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.c1(ccccc1)C
Title of publication	Enhanced thermal stability of Cu-silylphosphido complexes via NHC ligation.
Authors of publication	Khalili Najafabadi, Bahareh; Corrigan, John F.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	32
Pages of publication	14235 - 14241
a	22.988 ± 0.007 Å
b	10.325 ± 0.003 Å
c	18.132 ± 0.004 Å
α	90°
β	94.917 ± 0.008°
γ	90°
Cell volume	4288 ± 2 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
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	0.1145
Residual factor for significantly intense reflections	0.0925
Weighted residual factors for significantly intense reflections	0.252
Weighted residual factors for all reflections included in the refinement	0.263
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
153217 (current)	2015-08-08	cif/ Updating files of 7035850, 7035851, 7035852, 7035853 Original log message: Adding full bibliography for 7035850--7035853.cif.	7035853.cif
152280	2015-07-18	cif/ Adding structures of 7035850, 7035851, 7035852, 7035853 via cif-deposit CGI script.	7035853.cif