Crystallography Open Database

Information card for entry 1548319

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Coordinates	1548319.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32.33 H61.67 Cl2 Mo N2 O2.33 P2
Calculated formula	C31 H43 Cl2 Mo N2 O3.3334 P2
Title of publication	Unique behaviour of dinitrogen-bridged dimolybdenum complexes bearing pincer ligand towards catalytic formation of ammonia
Authors of publication	Hiromasa Tanaka; Kazuya Arashiba; Shogo Kuriyama; Akira Sasada; Kazunari Nakajima; Kazunari Yoshizawa; Yoshiaki Nishibayashi
Journal of publication	Nature Communications
Year of publication	2014
Journal volume	5
Pages of publication	3737
a	36.2479 ± 0.001 Å
b	36.2479 ± 0.001 Å
c	17.0202 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	19366.9 ± 0.9 Å³
Cell temperature	198 K
Ambient diffraction temperature	198 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for significantly intense reflections	0.079
Weighted residual factors for all reflections included in the refinement	0.1725
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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