Crystallography Open Database

Information card for entry 1555289

Preview

Coordinates	1555289.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H43 Mo N O2 P2
Calculated formula	C43 H43 Mo N O2 P2
SMILES	[Mo]12345([P](Cc6[n]2c(ccc6)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(OC3=O)([CH2]=[CH2]4)[CH2]=[CH2]5.Cc1ccccc1
Title of publication	Molybdenum and tungsten complexes with carbon dioxide and ethylene ligands
Authors of publication	Álvarez, María; Galindo, Agustín; Pérez, Pedro J.; Carmona, Ernesto
Journal of publication	Chemical Science
Year of publication	2019
Journal volume	10
Journal issue	37
Pages of publication	8541
a	13.1562 ± 0.0007 Å
b	14.2402 ± 0.0007 Å
c	21.7973 ± 0.0012 Å
α	74.258 ± 0.002°
β	74.58 ± 0.002°
γ	65.252 ± 0.002°
Cell volume	3514.9 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0595
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.105
Weighted residual factors for all reflections included in the refinement	0.116
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation probe	x-ray
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
238437 (current)	2019-11-24	cif/ Adding structures of 1555285, 1555286, 1555287, 1555288, 1555289, 1555290 via cif-deposit CGI script.	1555289.cif