Crystallography Open Database

Information card for entry 1508152

Preview

Coordinates	1508152.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23.75 H44.5 Cl4.5 Mo N P2
Calculated formula	C23.7525 H43 Cl4.505 Mo N P2
Title of publication	A molybdenum complex bearing PNP-type pincer ligands leads to the catalytic reduction of dinitrogen into ammonia.
Authors of publication	Arashiba, Kazuya; Miyake, Yoshihiro; Nishibayashi, Yoshiaki
Journal of publication	Nature chemistry
Year of publication	2011
Journal volume	3
Journal issue	2
Pages of publication	120 - 125
a	28.6387 ± 0.0012 Å
b	14.9963 ± 0.0008 Å
c	19.6011 ± 0.0007 Å
α	90°
β	125.48 ± 0.001°
γ	90°
Cell volume	6855.1 ± 0.5 Å³
Cell temperature	173.1 K
Ambient diffraction temperature	173.1 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for all reflections included in the refinement	0.095
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1508152.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508152.cif
62698	2012-07-09	cif/ Adding structures of 1508152 via cif-deposit CGI script.	1508152.cif