Crystallography Open Database

Information card for entry 8104554

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Coordinates	8104554.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H28 Co N2 O20
Calculated formula	C28 H28 Co N2 O20
Title of publication	Crystal structure of trans-tetraaqua-bis{2-carboxy-4-((5-carboxypyridin-3-yl)oxy)benzoato-κ1 N}cobalt(II) dihydrate C28H28O20N2Co
Authors of publication	Du, Xigang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	6
Pages of publication	1157 - 1159
a	7.7951 ± 0.0003 Å
b	9.3511 ± 0.0004 Å
c	11.3352 ± 0.0004 Å
α	93.345 ± 0.003°
β	105.499 ± 0.004°
γ	104.913 ± 0.004°
Cell volume	762.19 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0378
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0781
Weighted residual factors for all reflections included in the refinement	0.0798
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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