Crystallography Open Database

Information card for entry 4127269

Preview

Coordinates	4127269.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C288 H378 Co18 N8 O103
Calculated formula	C288 H66 Co18 N8 O103
Title of publication	Biomimetic Self-Assembly of Co<sup>II</sup>-Seamed Hexameric Metal-Organic Nanocapsules.
Authors of publication	Hu, Xiangquan; Chai, Jie; Zhang, Chen; Lang, Jinxin; Kelley, Steven P.; Feng, Sisi; Liu, Bin; Atwood, David A.; Atwood, Jerry L.
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	23
Pages of publication	9151 - 9154
a	27.458 ± 0.003 Å
b	36.623 ± 0.004 Å
c	21.558 ± 0.003 Å
α	90°
β	116.955 ± 0.002°
γ	90°
Cell volume	19324 ± 4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.153
Residual factor for significantly intense reflections	0.1176
Weighted residual factors for significantly intense reflections	0.3582
Weighted residual factors for all reflections included in the refinement	0.3891
Goodness-of-fit parameter for all reflections included in the refinement	1.627
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
223204 (current)	2019-11-04	cif/ Updating files of 4127269 Original log message: Adding full bibliography for 4127269.cif.	4127269.cif
215303	2019-05-19	cif/ Adding structures of 4127269 via cif-deposit CGI script.	4127269.cif