Crystallography Open Database

Information card for entry 4122100

4122099 << 4122100 >> 4122101

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Coordinates	4122100.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H104 Mo2 N12 O2 P4
Calculated formula	C54 H90 Mo2 N12 O2 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	31.2829 ± 0.0012 Å
b	10.0768 ± 0.0004 Å
c	21.9085 ± 0.0007 Å
α	90°
β	111.716 ± 0.0009°
γ	90°
Cell volume	6416.1 ± 0.4 Å³
Cell temperature	183 K
Ambient diffraction temperature	183 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0719
Weighted residual factors for all reflections included in the refinement	0.0888
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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