Crystallography Open Database

Information card for entry 4129319

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Coordinates	4129319.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C261 H195 F6 N12 O168 Y27
Calculated formula	C261 H195 F6 N12 O167.1 Y27
Title of publication	Quest for highly connected metal-organic framework platforms: rare-earth polynuclear clusters versatility meets net topology needs.
Authors of publication	Alezi, Dalal; Peedikakkal, Abdul Malik P.; Weseliński, Łukasz J; Guillerm, Vincent; Belmabkhout, Youssef; Cairns, Amy J.; Chen, Zhijie; Wojtas, Łukasz; Eddaoudi, Mohamed
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	16
Pages of publication	5421 - 5430
a	25.9989 ± 0.0015 Å
b	25.9989 ± 0.0015 Å
c	42.656 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	24970 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.65 K
Number of distinct elements	6
Space group number	193
Hermann-Mauguin space group symbol	P 63/m c m
Hall space group symbol	-P 6c 2
Residual factor for all reflections	0.0816
Residual factor for significantly intense reflections	0.073
Weighted residual factors for significantly intense reflections	0.2067
Weighted residual factors for all reflections included in the refinement	0.217
Goodness-of-fit parameter for all reflections included in the refinement	1.124
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
240054 (current)	2019-11-25	cif/ Adding structures of 4129319 via cif-deposit CGI script.	4129319.cif