Crystallography Open Database

Information card for entry 4122097

4122096 << 4122097 >> 4122098

Preview

Coordinates	4122097.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H104 Mo2 N12 P4
Calculated formula	C64 H107 Mo2 N12 P4
Title of publication	Catalytic Formation of Ammonia from Molecular Dinitrogen by Use of Dinitrogen-Bridged Dimolybdenum-Dinitrogen Complexes Bearing PNP-Pincer Ligands: Remarkable Effect of Substituent at PNP-Pincer Ligand.
Authors of publication	Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Kamaru, Nobuaki; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	27
Pages of publication	9719 - 9731
a	12.5589 ± 0.0003 Å
b	14.6629 ± 0.0005 Å
c	20.7661 ± 0.0005 Å
α	96.7468 ± 0.0012°
β	101.435 ± 0.0008°
γ	96.4981 ± 0.0012°
Cell volume	3685.45 ± 0.18 Å³
Cell temperature	173.1 K
Ambient diffraction temperature	173.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for all reflections included in the refinement	0.1241
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
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.	4122097.cif
121270	2014-08-05	cif/ Updating files of 4122097, 4122098, 4122099, 4122100, 4122101 Original log message: Adding full bibliography for 4122097--4122101.cif.	4122097.cif
118071	2014-06-26	cif/ Adding structures of 4122097, 4122098, 4122099, 4122100, 4122101 via cif-deposit CGI script.	4122097.cif