Crystallography Open Database

Information card for entry 7713966

Preview

Coordinates	7713966.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H112 Cl6 Mo2 N2 P4
Calculated formula	C82 H112 Cl6 Mo2 N2 P4
Title of publication	Design, synthesis and reactivity of dimolybdenum complex bearing quaterphenylene-bridged pyridine-based PNP-type pincer ligand
Authors of publication	Eizawa, Aya; Arashiba, Kazuya; Tanaka, Hiromasa; Konomi, Asuka; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki
Journal of publication	Dalton Transactions
Year of publication	2023
a	17.0001 ± 0.0003 Å
b	19.0388 ± 0.0003 Å
c	30.0601 ± 0.0005 Å
α	90°
β	103.092 ± 0.0016°
γ	90°
Cell volume	9476.4 ± 0.3 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0557
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.1092
Weighted residual factors for all reflections included in the refinement	0.1139
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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