Crystallography Open Database

Information card for entry 7239711

Preview

Coordinates	7239711.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36.8 H34 Cd N8.4 O6 S2
Calculated formula	C34 H32 Cd N8 O6 S2
Title of publication	Template effect of innocent and coordinating anions on the formation of interpenetrated 2D and 3D networks: methyl orange and iodine sorption studies
Authors of publication	Baig, Fayaz; Rangan, Krishnan; Eappen, Shibu M.; Mandal, Sanjay K.; Sarkar, Madhushree
Journal of publication	CrystEngComm
Year of publication	2020
Journal volume	22
Journal issue	4
Pages of publication	751 - 766
a	9.8814 ± 0.0003 Å
b	14.19 ± 0.0004 Å
c	15.7164 ± 0.0005 Å
α	94.95 ± 0.003°
β	91.893 ± 0.003°
γ	100.06 ± 0.003°
Cell volume	2159.13 ± 0.12 Å³
Cell temperature	298.15 K
Ambient diffraction temperature	298.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0591
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1377
Weighted residual factors for all reflections included in the refinement	0.1399
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257451 (current)	2020-10-06	cif/ Updating files of 7239708, 7239709, 7239710, 7239711, 7239712 Original log message: Adding full bibliography for 7239708--7239712.cif.	7239711.cif
247663	2020-02-04	cif/ Updating files of 7239708, 7239709, 7239710, 7239711, 7239712 Original log message: Adding full bibliography for 7239708--7239712.cif.	7239711.cif
246371	2020-01-01	cif/ Adding structures of 7239708, 7239709, 7239710, 7239711, 7239712 via cif-deposit CGI script.	7239711.cif