Crystallography Open Database

Information card for entry 4331632

Preview

Coordinates	4331632.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H58 Cl2 Mo N2 O P4
Calculated formula	C64 H58 Cl2 Mo N2 O P4
SMILES	[Mo]12(Cl)(Cl)([P](N([P]1(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](N([P]2(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1
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	11.5756 ± 0.0001 Å
b	12.6994 ± 0.0002 Å
c	20.0643 ± 0.0005 Å
α	89.589 ± 0.004°
β	79.536 ± 0.004°
γ	74.163 ± 0.003°
Cell volume	2787.56 ± 0.1 Å³
Cell temperature	173.1 K
Ambient diffraction temperature	173.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.055
Weighted residual factors for all reflections included in the refinement	0.1548
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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.	4331632.cif
97760	2014-01-29	cif/ Adding structures of 4331632 via cif-deposit CGI script.	4331632.cif