Crystallography Open Database

Information card for entry 7236183

Preview

Coordinates	7236183.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H84 Cl6 Cr6 Mn3 N14 O44
Calculated formula	C78 H48 Cl6 Cr6 Mn3 N12 O38
Title of publication	Network diversity through two-step crystal engineering of a decorated 6-connected primary molecular building block
Authors of publication	Yang, Qing-Yuan; Chen, Kai-Jie; Schoedel, Alexander; Wojtas, Lukasz; Perry IV, John J.; Zaworotko, Michael J.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	44
Pages of publication	8578
a	22.045 ± 0.002 Å
b	22.045 ± 0.002 Å
c	21.768 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	9161.6 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	7
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	0.0961
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.1945
Weighted residual factors for all reflections included in the refinement	0.2415
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.41328 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
234716 (current)	2019-11-23	cif/ Adding structures of 7236179, 7236180, 7236181, 7236182, 7236183 via cif-deposit CGI script.	7236183.cif