Crystallography Open Database

Information card for entry 4116342

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Coordinates	Coordinates are not available: file is not found.
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H16 N10 Ni O6
Calculated formula	C6 H16 N10 Ni O6
Title of publication	Tunable Molecular Distortion in a Nickel Complex Coupled to a Reversible Phase Transition in the Crystalline State
Authors of publication	Larry R. Falvello; Michael A. Hitchman; Fernando Palacio; Isabel Pascual; Arthur J. Schultz; Horst Stratemeier; Milagros Tomás; Esteban P. Urriolabeitia; Dianna M. Young
Journal of publication	Journal of the American Chemical Society
Year of publication	1999
Journal volume	121
Pages of publication	2808 - 2819
a	12.014 ± 0.002 Å
b	7.219 ± 0.002 Å
c	15.805 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1370.8 ± 0.5 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	5
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0542
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for all reflections	0.0994
Weighted residual factors for significantly intense reflections	0.0917
Goodness-of-fit parameter for all reflections	1.096
Goodness-of-fit parameter for significantly intense reflections	1.117
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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