Crystallography Open Database

Information card for entry 7114515

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Coordinates	7114515.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C181 H172 Cd6 N26 O45
Calculated formula	C181 H163 Cd6 N26 O45
Title of publication	A ???three-in-one??? crystal of coordination networksElectronic supplementary information (ESI) available: ORTEP drawings for 2, 3 and 4. See http://www.rsc.org/suppdata/cc/b2/b203025j/
Authors of publication	Biradha, Kumar; Fujita, Makoto
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	17
Pages of publication	1866
a	14.586 ± 0.0011 Å
b	15.9383 ± 0.0012 Å
c	20.4614 ± 0.0015 Å
α	79.171 ± 0.001°
β	74.183 ± 0.001°
γ	82.219 ± 0.001°
Cell volume	4477.3 ± 0.6 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0433
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0776
Weighted residual factors for all reflections included in the refinement	0.0829
Goodness-of-fit parameter for all reflections included in the refinement	0.95
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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