Crystallography Open Database

Information card for entry 4085619

Preview

Coordinates	4085619.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64.9 H79.4 N4 O1.7 P4 S2 Si2 Zr2
Calculated formula	C64.9 H79.4 N4 O1.7 P4 S2 Si2 Zr2
Title of publication	Oxo-Bridged Bis(group 4 metal unsymmetric phosphonium-stabilized carbene) Complexes
Authors of publication	Guo, Jia-Yi; Chan, Yuk-Chi; Li, Yongxin; Ganguly, Rakesh; So, Cheuk-Wai
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	7
Pages of publication	1238
a	12.6988 ± 0.0005 Å
b	17.7746 ± 0.0007 Å
c	14.4923 ± 0.0006 Å
α	90°
β	92.501 ± 0.002°
γ	90°
Cell volume	3268 ± 0.2 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	8
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0439
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0856
Weighted residual factors for all reflections included in the refinement	0.1005
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4085619.cif
138299	2015-06-05	cif/ Updating files of 4085616, 4085617, 4085618, 4085619, 4085620, 4085621, 4085622 Original log message: Adding full bibliography for 4085616--4085622.cif.	4085619.cif
133960	2015-03-17	cif/ Adding structures of 4085616, 4085617, 4085618, 4085619, 4085620, 4085621, 4085622 via cif-deposit CGI script.	4085619.cif