Crystallography Open Database

Information card for entry 7037440

Preview

Coordinates	7037440.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H74 Cl6 N4 Si
Calculated formula	C55 H74 Cl6 N4 Si
SMILES	[Si](Cl)(Cl)(Cl)(c1[n+](cn(c1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1n(c[n+](c1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.[Cl-].C(Cl)Cl
Title of publication	Abnormal carbene-silicon halide complexes.
Authors of publication	Wang, Yuzhong; Xie, Yaoming; Wei, Pingrong; Schaefer, Henry F.; Robinson, Gregory H.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	14
Pages of publication	5941 - 5944
a	22.491 ± 0.002 Å
b	24.236 ± 0.002 Å
c	10.5002 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	5723.6 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0659
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.1245
Weighted residual factors for all reflections included in the refinement	0.1365
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
181715 (current)	2016-04-05	cif/ Updating files of 7037438, 7037439, 7037440 Original log message: Adding full bibliography for 7037438--7037440.cif.	7037440.cif
170531	2015-11-25	cif/ Adding structures of 7037438, 7037439, 7037440 via cif-deposit CGI script.	7037440.cif