Crystallography Open Database

Information card for entry 4087833

Preview

Coordinates	4087833.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H29 Br N2 O2 Si W
Calculated formula	C33 H29 Br N2 O2 Si W
SMILES	Br[W]([n]1ccc(cc1)C)([n]1ccc(cc1)C)(#C[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O]
Title of publication	Synthesis of a Stable Methylidyne Complex
Authors of publication	Hill, Anthony F.; Ward, Jas S.; Xiong, Yaoyao
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	20
Pages of publication	5057
a	11.8049 ± 0.0003 Å
b	11.8059 ± 0.0004 Å
c	12.5211 ± 0.0003 Å
α	63.067 ± 0.003°
β	76.1846 ± 0.0019°
γ	79.043 ± 0.002°
Cell volume	1503.98 ± 0.08 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0238
Residual factor for significantly intense reflections	0.0229
Weighted residual factors for all reflections	0.0599
Weighted residual factors for significantly intense reflections	0.0593
Weighted residual factors for all reflections included in the refinement	0.0599
Goodness-of-fit parameter for all reflections included in the refinement	1.0247
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237040 (current)	2019-11-24	cif/ Adding structures of 4087833, 4087834, 4087835, 4087836, 4087837, 4087838, 4087839 via cif-deposit CGI script.	4087833.cif