Crystallography Open Database

Information card for entry 4331634

Preview

Coordinates	4331634.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H58 Cl2 Mo N2 O1.5 P4
Calculated formula	C70 H58 Cl2 Mo N2 O1.5 P4
Title of publication	Preparation, Characterization, and Reactivity of Dinitrogen Molybdenum Complexes with Bis(diphenylphosphino)amine Derivative Ligands that Form a Unique 4-Membered P-N-P Chelate Ring
Authors of publication	Takahiko Ogawa; Yuji Kajita; Yuko Wasada-Tsutsui; Hiroaki Wasada; Hideki Masuda
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	182 - 195
a	18.6171 ± 0.0003 Å
b	11.351 ± 0.0002 Å
c	30.2636 ± 0.0007 Å
α	90°
β	101.856 ± 0.0009°
γ	90°
Cell volume	6258.9 ± 0.2 Å³
Cell temperature	173.1 K
Ambient diffraction temperature	173.1 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for all reflections included in the refinement	0.1193
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4331634.cif
97762	2014-01-29	cif/ Adding structures of 4331634 via cif-deposit CGI script.	4331634.cif