Crystallography Open Database

Information card for entry 7201466

7201465 << 7201466 >> 7201467

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Coordinates	7201466.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H28 Cl2 N4 Ni O8
Calculated formula	C12 H28 Cl2 N4 Ni O8
Title of publication	Drug-containing coordination and hydrogen bonding networks obtained mechanochemically
Authors of publication	Braga, Dario; Grepioni, Fabrizia; André, Vânia; Duarte, M. Teresa
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	12
Pages of publication	2618
a	9.6316 ± 0.0007 Å
b	7.3983 ± 0.0005 Å
c	15.873 ± 0.0014 Å
α	90°
β	113.769 ± 0.006°
γ	90°
Cell volume	1035.13 ± 0.15 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1543
Residual factor for significantly intense reflections	0.0695
Weighted residual factors for significantly intense reflections	0.1879
Weighted residual factors for all reflections included in the refinement	0.2429
Goodness-of-fit parameter for all reflections included in the refinement	0.728
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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