Crystallography Open Database

Information card for entry 7205975

7205974 << 7205975 >> 7205976

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Coordinates	7205975.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H48 Cl N5 Ni2 O12
Calculated formula	C44 H48 Cl N5 Ni2 O12
Title of publication	Co-crystallization of coordination compounds through second-coordination sphere interactions
Authors of publication	Cucos, Andrei; Ursu, Andrei; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	11
Pages of publication	3756
a	13.8843 ± 0.0008 Å
b	23.6202 ± 0.001 Å
c	14.7348 ± 0.0008 Å
α	90°
β	114.441 ± 0.004°
γ	90°
Cell volume	4399.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0984
Residual factor for significantly intense reflections	0.0662
Weighted residual factors for significantly intense reflections	0.1716
Weighted residual factors for all reflections included in the refinement	0.1897
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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