Crystallography Open Database

Information card for entry 1555288

Preview

Coordinates	1555288.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H39 Cl4 N O2 P2 W
Calculated formula	C38 H39 Cl4 N O2 P2 W
SMILES	[W]12345([P](Cc6[n]2c(C[P]1(c1ccccc1)c1ccccc1)ccc6)(c1ccccc1)c1ccccc1)([O]=[C]3=O)([CH2]=[CH2]4)[CH2]=[CH2]5.ClCCl.ClCCl
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	35.714 ± 0.003 Å
b	16.098 ± 0.0013 Å
c	15.0574 ± 0.0012 Å
α	90°
β	111.571 ± 0.002°
γ	90°
Cell volume	8050.6 ± 1.1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0804
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for significantly intense reflections	0.1481
Weighted residual factors for all reflections included in the refinement	0.156
Goodness-of-fit parameter for all reflections included in the refinement	1.192
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.	1555288.cif