Crystallography Open Database

Information card for entry 7126612

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Coordinates	7126612.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H100 K Mo2 N8 O2 P4
Calculated formula	C52 H100 K Mo2 N8 O2 P4
Title of publication	Preparation and reactivity of molybdenum complexes bearing pyrrole-based PNP-type pincer ligand.
Authors of publication	Tanabe, Yoshiaki; Sekiguchi, Yoshiya; Tanaka, Hiromasa; Konomi, Asuka; Yoshizawa, Kazunari; Kuriyama, Shogo; Nishibayashi, Yoshiaki
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	51
Pages of publication	6933 - 6936
a	16.2771 ± 0.0004 Å
b	18.0042 ± 0.0004 Å
c	20.8139 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	6099.6 ± 0.2 Å³
Cell temperature	198 K
Ambient diffraction temperature	198 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1279
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.056
Weighted residual factors for all reflections included in the refinement	0.0635
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	Yes
Has F_obs	No

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