Crystallography Open Database

Information card for entry 4124907

Preview

Coordinates	4124907.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C270 H288 B12 F48 Fe10 N60 O42 Sb8
Calculated formula	C270 H288 B12 F34.8 Fe10 N60 O42 Sb6
Title of publication	Ligand Aspect Ratio as a Decisive Factor for the Self-Assembly of Coordination Cages.
Authors of publication	Jansze, Suzanne M.; Cecot, Giacomo; Wise, Matthew D.; Zhurov, Konstantin O.; Ronson, Tanya K.; Castilla, Ana M.; Finelli, Alba; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Zelinskii, Genrikh E.; Vologzhanina, Anna V.; Voloshin, Yan Z.; Nitschke, Jonathan R.; Severin, Kay
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	6
Pages of publication	2046 - 2054
a	28.0944 ± 0.0009 Å
b	28.0944 ± 0.0009 Å
c	184.156 ± 0.007 Å
α	90°
β	90°
γ	120°
Cell volume	125880 ± 7 Å³
Cell temperature	135 ± 2 K
Ambient diffraction temperature	135 ± 2 K
Number of distinct elements	8
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.1191
Residual factor for significantly intense reflections	0.1044
Weighted residual factors for significantly intense reflections	0.2693
Weighted residual factors for all reflections included in the refinement	0.2811
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
177401 (current)	2016-03-04	cif/ Updating files of 4124901, 4124902, 4124903, 4124904, 4124905, 4124906, 4124907, 4124908, 4124909 Original log message: Adding full bibliography for 4124901--4124909.cif.	4124907.cif
176299	2016-02-10	cif/ Adding structures of 4124907 via cif-deposit CGI script.	4124907.cif