Crystallography Open Database

Information card for entry 8106042

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Coordinates	8106042.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H126 N14 O22
Calculated formula	C55 H126 N14 O22
Title of publication	Crystal structure of the salt tris(guanidinium) tris(tetrapropylammonium) bis(pyridine-2,4,6-tricarboxylate) – water (1/10), C55H126N14O22
Authors of publication	Zai, Yanbing; Zhu, Linlin; Wu, Xiangxiang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	1
Pages of publication	57 - 60
a	44.1382 ± 0.0007 Å
b	8.1854 ± 0.0001 Å
c	21.8699 ± 0.0003 Å
α	90°
β	109.207 ± 0.001°
γ	90°
Cell volume	7461.53 ± 0.19 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.1131
Weighted residual factors for all reflections included in the refinement	0.1187
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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