Crystallography Open Database

Information card for entry 8106532

Preview

Coordinates	8106532.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H30 Co N4 O5
Calculated formula	C29 H30 Co N4 O5
Title of publication	Crystal structure of poly-[(μ2-((1,3-bis(benzimidazol-1-yl)propane-κ2 N:N′)(μ2-4-tert-butyl-phthalato-κ2 O:O′)cobalt(II)] monohydrate, C29H30CoN4O5
Authors of publication	Han, Min-Le; Wang, San-Tai; Zhou, Zhe
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	3
Pages of publication	347 - 349
a	11.6532 ± 0.001 Å
b	20.1493 ± 0.0018 Å
c	22.609 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5308.7 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0615
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0791
Weighted residual factors for all reflections included in the refinement	0.0909
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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