Crystallography Open Database

Information card for entry 4132317

Preview

Coordinates	4132317.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H38 B Mo N6 O2 P
Calculated formula	C26 H38 B Mo N6 O2 P
SMILES	[MoH]12([P](C)(C)C)([n]3n(c(cc3C)C)[BH](n3[n]1c(cc3C)C)n1[n]2c(cc1C)C)(C#[O])C#[O].c1ccccc1
Title of publication	Linearly Two-Coordinated Silicon: Transition Metal Complexes with the Functional Groups M≡Si-M and M═Si═M.
Authors of publication	Ghana, Priyabrata; Arz, Marius I.; Chakraborty, Uttam; Schnakenburg, Gregor; Filippou, Alexander C.
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	23
Pages of publication	7187 - 7198
a	13.5471 ± 0.0004 Å
b	14.2491 ± 0.0004 Å
c	16.299 ± 0.0005 Å
α	109.005 ± 0.002°
β	95.885 ± 0.002°
γ	95.334 ± 0.002°
Cell volume	2932.26 ± 0.16 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 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	0.0344
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.0632
Weighted residual factors for all reflections included in the refinement	0.0651
Goodness-of-fit parameter for all reflections included in the refinement	0.9932
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
242305 (current)	2019-11-26	cif/ Adding structures of 4132313, 4132314, 4132315, 4132316, 4132317, 4132318, 4132319 via cif-deposit CGI script.	4132317.cif