Crystallography Open Database

Information card for entry 7717072

Preview

Coordinates	7717072.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H40 Ca2 N2 O22 S6
Calculated formula	C18 H40 Ca2 N2 O22 S6
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	5.8064 ± 0.0006 Å
b	9.598 ± 0.0011 Å
c	16.929 ± 0.002 Å
α	88.105 ± 0.004°
β	84.771 ± 0.004°
γ	79.178 ± 0.004°
Cell volume	922.69 ± 0.18 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 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	0.0364
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0929
Weighted residual factors for all reflections included in the refinement	0.0949
Goodness-of-fit parameter for all reflections included in the refinement	1.0291
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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