Crystallography Open Database

Information card for entry 7008665

Preview

Coordinates	7008665.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H35 Cd6 N19
Calculated formula	C44 H35 Cd6 N19
Title of publication	Crystal structures and spectroscopic properties of polycyano-polycadmate host clathrates including a CT complex guest of methylviologen dication and aromatic donor.
Authors of publication	Yoshikawa, Hirofumi; Nishikiori, Shin-ichi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2005
Journal issue	18
Pages of publication	3056 - 3064
a	8.8965 ± 0.001 Å
b	11.7193 ± 0.0014 Å
c	52.414 ± 0.006 Å
α	90°
β	97.734 ± 0.005°
γ	90°
Cell volume	5415 ± 1.1 Å³
Cell temperature	113.15 K
Ambient diffraction temperature	113.15 K
Number of distinct elements	4
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	0.0942
Residual factor for significantly intense reflections	0.0918
Weighted residual factors for significantly intense reflections	0.1927
Weighted residual factors for all reflections included in the refinement	0.1939
Goodness-of-fit parameter for all reflections included in the refinement	1.259
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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