Crystallography Open Database

Information card for entry 4350746

Preview

Coordinates	4350746.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	C102H108N6O12(Me2SO)11(H2O)3
Formula	C124 H180 N6 O26 S11
Calculated formula	C123.96 H179.88 N6 O25.99 S10.98
Title of publication	Perfect encapsulation of a guanidinium ion in a helical trinickel(ii) metallocryptand for efficient regulation of the helix inversion rate
Authors of publication	Akine, Shigehisa; Miyashita, Masato; Piao, Shunjin; Nabeshima, Tatsuya
Journal of publication	Inorg. Chem. Front.
Year of publication	2014
Journal volume	1
Journal issue	1
Pages of publication	53
a	24.1319 ± 0.001 Å
b	24.1319 ± 0.001 Å
c	43.5952 ± 0.0018 Å
α	90°
β	90°
γ	120°
Cell volume	21986.3 ± 1.6 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1155
Residual factor for significantly intense reflections	0.0962
Weighted residual factors for significantly intense reflections	0.2112
Weighted residual factors for all reflections included in the refinement	0.2262
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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