Crystallography Open Database

Information card for entry 7229256

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Coordinates	7229256.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H35 Cd2 N3 O14 S2
Calculated formula	C27 H35 Cd2 N3 O14 S2
Title of publication	Solvent-induced diversity of luminescent metal‒organic frameworks based on different secondary building units
Authors of publication	Wang, Lu; Yang, Guo-Ping; Yan, Yang-Tian; Jin, Jing; Ning, Yan; Wang, Yao-Yu
Journal of publication	RSC Adv.
Year of publication	2017
Journal volume	7
Journal issue	73
Pages of publication	46125
a	17.442 ± 0.007 Å
b	21.243 ± 0.009 Å
c	11.468 ± 0.004 Å
α	90°
β	129.716 ± 0.004°
γ	90°
Cell volume	3269 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1774
Residual factor for significantly intense reflections	0.0796
Weighted residual factors for significantly intense reflections	0.2059
Weighted residual factors for all reflections included in the refinement	0.313
Goodness-of-fit parameter for all reflections included in the refinement	1.244
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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