Crystallography Open Database

Information card for entry 7717071

Preview

Coordinates	7717071.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H84 Ca4 N4 O40 S12
Calculated formula	C28 H84 Ca4 N4 O40 S12
Title of publication	Synthesis of anionic alkaline earth metal methanesulfonates bearing photo-responsive methylviologen.
Authors of publication	Chauhan, Aishwarya; Chauhan, Priyanka; Shankar, Ravi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	41
Pages of publication	17014 - 17020
a	5.805 ± 0.002 Å
b	31.377 ± 0.006 Å
c	9.185 ± 0.002 Å
α	90 ± 0.03°
β	93.49 ± 0.03°
γ	90 ± 0.03°
Cell volume	1669.9 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0442
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.1185
Weighted residual factors for all reflections included in the refinement	0.1209
Goodness-of-fit parameter for all reflections included in the refinement	0.9853
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
296511 (current)	2024-12-06	cif/ Updating files of 7717069, 7717070, 7717071, 7717072 Original log message: Adding full bibliography for 7717069--7717072.cif.	7717071.cif
294838	2024-09-21	cif/ Adding structures of 7717069, 7717070, 7717071, 7717072 via cif-deposit CGI script.	7717071.cif