Crystallography Open Database

Information card for entry 4343269

Preview

Coordinates	4343269.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H33 Mo N O P2
Calculated formula	C33 H33 Mo N O P2
SMILES	[MoH]12345([P](c6ccccc6)(CN(C)C[P]1(c1ccccc1)c1ccccc1)c1ccccc1)([cH]1[cH]5[cH]4[cH]3[cH]21)C#[O]
Title of publication	Molybdenum Hydride and Dihydride Complexes Bearing Diphosphine Ligands with a Pendant Amine: Formation of Complexes with Bound Amines.
Authors of publication	Zhang, Shaoguang; Bullock, R. Morris
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	13
Pages of publication	6397 - 6409
a	9.5859 ± 0.0013 Å
b	12.2921 ± 0.0018 Å
c	13.7379 ± 0.0019 Å
α	67.165 ± 0.006°
β	80.541 ± 0.006°
γ	70.222 ± 0.006°
Cell volume	1402.9 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0278
Residual factor for significantly intense reflections	0.0251
Weighted residual factors for significantly intense reflections	0.063
Weighted residual factors for all reflections included in the refinement	0.0647
Goodness-of-fit parameter for all reflections included in the refinement	0.98
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
152789 (current)	2015-08-05	cif/ Updating files of 4343268, 4343269, 4343270, 4343271, 4343272, 4343273, 4343274 Original log message: Adding full bibliography for 4343268--4343274.cif.	4343269.cif
138934	2015-06-09	cif/ Adding structures of 4343268, 4343269, 4343270, 4343271, 4343272, 4343273, 4343274 via cif-deposit CGI script.	4343269.cif