Crystallography Open Database

Information card for entry 7223351

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Coordinates	7223351.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H17 Co N O8
Calculated formula	C11 H17 Co N O8
Title of publication	MOF-71 as a degradation product in single crystal to single crystal transformation of new three-dimensional Co(ii) 1,4-benzenedicarboxylate
Authors of publication	Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Coropceanu, Eduard B.; Fonari, Marina S.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	1
Pages of publication	38
a	7.8758 ± 0.0007 Å
b	9.1877 ± 0.001 Å
c	11.3427 ± 0.0008 Å
α	112.883 ± 0.008°
β	91.057 ± 0.007°
γ	105.877 ± 0.009°
Cell volume	720.07 ± 0.13 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	0.0672
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.0849
Weighted residual factors for all reflections included in the refinement	0.0954
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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