Crystallography Open Database

Information card for entry 7215400

Preview

Coordinates	7215400.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C95 H91 Cd4 N9 O25
Calculated formula	C95 H91 Cd4 N9 O25
Title of publication	An unprecedented (3,7)-connected microporous solvatochromic coordination polymer built on a semirigid tripod pyridinium-4-olate ligand
Authors of publication	Zhang, Jun; Xue, Yun-Shan; Bai, Jing; Fang, Min; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	20
Pages of publication	6010
a	32.782 ± 0.002 Å
b	16.6144 ± 0.0013 Å
c	17.8662 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	9730.9 ± 1.2 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	54
Hermann-Mauguin space group symbol	P c c a
Hall space group symbol	-P 2a 2ac
Residual factor for all reflections	0.1005
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for significantly intense reflections	0.1374
Weighted residual factors for all reflections included in the refinement	0.1462
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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/7215400.html