Crystallography Open Database

Information card for entry 4314297

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Coordinates	4314297.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C106 H84 B2 Co N12
Calculated formula	C106 H78 B2 Co N12
SMILES	[Co]1234([n]5c(cc(cc5c5[n]2cccc5)c2ccc(/N=N/c5ccccc5)cc2)c2[n]1cccc2)[n]1c(cc(cc1c1[n]4cccc1)c1ccc(/N=N/c2ccccc2)cc1)c1[n]3cccc1.N#CC.N#CC.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Photochemical Behavior of Azobenzene-Conjugated CoII, CoIII, and FeII Bis(terpyridine) Complexes
Authors of publication	Tomona Yutaka; Ichiro Mori; Masato Kurihara; Naoto Tamai; Hiroshi Nishihara
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	6306 - 6313
a	22.895 ± 0.005 Å
b	21.1422 ± 0.0011 Å
c	18.7864 ± 0.0005 Å
α	90°
β	106.804 ± 0.0007°
γ	90°
Cell volume	8705 ± 2 Å³
Cell temperature	293.1 K
Number of distinct elements	5
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	0.097
Weighted residual factors for all reflections included in the refinement	0.116
Goodness-of-fit parameter for all reflections included in the refinement	3.543
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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