Crystallography Open Database

Information card for entry 4087836

Preview

Coordinates	4087836.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H31 Br N2 O2 Si W
Calculated formula	C27 H31 Br N2 O2 Si W
SMILES	Br[W]1([N](CC[N]1(C)C)(C)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	9.3085 ± 0.0003 Å
b	15.1128 ± 0.0004 Å
c	19.6064 ± 0.0004 Å
α	90°
β	96.3395 ± 0.0018°
γ	90°
Cell volume	2741.31 ± 0.13 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	7
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	0.1197
Residual factor for significantly intense reflections	0.0656
Weighted residual factors for all reflections	0.1908
Weighted residual factors for significantly intense reflections	0.1677
Weighted residual factors for all reflections included in the refinement	0.1908
Goodness-of-fit parameter for all reflections included in the refinement	0.9249
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
237040 (current)	2019-11-24	cif/ Adding structures of 4087833, 4087834, 4087835, 4087836, 4087837, 4087838, 4087839 via cif-deposit CGI script.	4087836.cif