Crystallography Open Database

Information card for entry 7233065

Preview

Coordinates	7233065.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H37 Cl3 Co N4 O6
Calculated formula	C38 H37 Cl3 Co N4 O6
Title of publication	A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification
Authors of publication	Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	33
Pages of publication	4925
a	11.9195 ± 0.0009 Å
b	12.6137 ± 0.0007 Å
c	25.1143 ± 0.0014 Å
α	90°
β	97.136 ± 0.006°
γ	90°
Cell volume	3746.7 ± 0.4 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0994
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.0971
Weighted residual factors for all reflections included in the refinement	0.1128
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223531 (current)	2019-11-07	cif/ Updating files of 7233050, 7233051, 7233052, 7233053, 7233054, 7233055, 7233056, 7233057, 7233058, 7233059, 7233060, 7233061, 7233062, 7233063, 7233064, 7233065, 7233066 Original log message: Adding full bibliography for 7233050--7233066.cif.	7233065.cif
216941	2019-07-11	cif/ Adding structures of 7233050, 7233051, 7233052, 7233053, 7233054, 7233055, 7233056, 7233057, 7233058, 7233059, 7233060, 7233061, 7233062, 7233063, 7233064, 7233065, 7233066 via cif-deposit CGI script.	7233065.cif