Crystallography Open Database

Information card for entry 7126923

Preview

Coordinates	7126923.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H40 Mo2 O8 P4
Calculated formula	C32 H40 Mo2 O8 P4
SMILES	C([Mo]1(C#[O])(C#[O])(C#[O])[P]23CC(=C(C[P]3(CC(=C(C2)C)C)[Mo](C#[O])(C#[O])(C#[O])(C#[O])[P]23CC(=C(C[P]13CC(=C(C2)C)C)C)C)C)C)#[O]
Title of publication	The chemistry of phosphirane-substituted phosphinidene complexes.
Authors of publication	Wang, Min; Yang, Tingting; Tian, Rongqiang; Wei, Donghui; Duan, Zheng; Mathey, François
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	67
Pages of publication	9707 - 9710
a	12.1297 ± 0.0004 Å
b	17.3992 ± 0.0006 Å
c	18.9772 ± 0.0007 Å
α	87.053 ± 0.003°
β	85.059 ± 0.003°
γ	74.342 ± 0.003°
Cell volume	3840.5 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0575
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.1147
Weighted residual factors for all reflections included in the refinement	0.1295
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation probe	x-ray
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
256029 (current)	2020-09-06	cif/ Updating files of 7126920, 7126921, 7126922, 7126923 Original log message: Adding full bibliography for 7126920--7126923.cif.	7126923.cif
254293	2020-07-15	cif/ Adding structures of 7126920, 7126921, 7126922, 7126923 via cif-deposit CGI script.	7126923.cif