Crystallography Open Database

Information card for entry 7236182

Preview

Coordinates	7236182.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C117 H155 Cl14 Cr6 Cu6 N27 O42
Calculated formula	C117 H153 Cl13.9998 Cr6 Cu6 N27 O41.9999
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	21.6177 ± 0.0006 Å
b	21.6177 ± 0.0006 Å
c	61.464 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	24875.4 ± 1.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.11 K
Number of distinct elements	7
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0742
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.1631
Weighted residual factors for all reflections included in the refinement	0.1695
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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
234716 (current)	2019-11-23	cif/ Adding structures of 7236179, 7236180, 7236181, 7236182, 7236183 via cif-deposit CGI script.	7236182.cif