Crystallography Open Database

Information card for entry 1548320

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Coordinates	1548320.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H44.33 Cl Mo N2 P2
Calculated formula	C24.3332 H43 Cl Mo N2 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	16.3159 ± 0.0005 Å
b	16.3159 ± 0.0005 Å
c	19.6989 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	4541.5 ± 0.2 Å³
Cell temperature	198 K
Ambient diffraction temperature	198 K
Number of distinct elements	6
Space group number	178
Hermann-Mauguin space group symbol	P 61 2 2
Hall space group symbol	P 61 2 (0 0 5)
Residual factor for significantly intense reflections	0.1103
Weighted residual factors for all reflections included in the refinement	0.2165
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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