Crystallography Open Database

Information card for entry 7114516

Preview

Coordinates	7114516.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C179 H170 Cd6 N26 O46
Calculated formula	C179 H159 Cd6 N26 O46
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	14.5829 ± 0.0011 Å
b	15.6484 ± 0.0011 Å
c	20.3931 ± 0.0015 Å
α	78.869 ± 0.001°
β	75.705 ± 0.001°
γ	83.175 ± 0.001°
Cell volume	4412.3 ± 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	0.0499
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1163
Weighted residual factors for all reflections included in the refinement	0.1215
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7114516.html