Crystallography Open Database

Information card for entry 7035979

Preview

Coordinates	7035979.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H10 Cd N6 S2
Calculated formula	C14 H10 Cd N6 S2
Title of publication	A Cd(ii) based metal organic framework: a photosensitive current conductor.
Authors of publication	Halder, Shibashis; Layek, Animesh; Ghosh, Koushik; Rizzoli, Corrado; Ray, Partha Pratim; Roy, Partha
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	36
Pages of publication	16149 - 16155
a	6.0349 ± 0.0013 Å
b	8.2409 ± 0.0019 Å
c	8.7848 ± 0.0019 Å
α	110.302 ± 0.004°
β	100.984 ± 0.004°
γ	93.003 ± 0.003°
Cell volume	398.9 ± 0.15 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0356
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0744
Weighted residual factors for all reflections included in the refinement	0.0764
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
288505 (current)	2023-12-22	Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9880. This change affected only the misspelt variants of the '_iucr_refine_instructions_details' data name.	7035979.cif
161466	2015-10-09	cif/ Updating files of 7035979 Original log message: Adding full bibliography for 7035979.cif.	7035979.cif
152608	2015-07-29	cif/ Adding structures of 7035979 via cif-deposit CGI script.	7035979.cif