Crystallography Open Database

Information card for entry 7231025

Preview

Coordinates	7231025.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	hexabromobis{hexakis(isonicotinoyl)cyclotricatechylene}tricobalt(II) dimethylformamide
Formula	C120 H86 Br6 Co3 N14 O26
Calculated formula	C120 H86 Br6 Co3 N14 O26
Title of publication	2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand
Authors of publication	Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	28
Pages of publication	3960
a	35.931 ± 0.0011 Å
b	20.5186 ± 0.0005 Å
c	32.4986 ± 0.0015 Å
α	90°
β	111.33 ± 0.003°
γ	90°
Cell volume	22318.5 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1114
Residual factor for significantly intense reflections	0.0884
Weighted residual factors for significantly intense reflections	0.2873
Weighted residual factors for all reflections included in the refinement	0.303
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
228882 (current)	2019-11-17	cif/ Updating files of 7231022, 7231023, 7231024, 7231025, 7231026, 7231027, 7231028, 7231029, 7231030 Original log message: Adding full bibliography for 7231022--7231030.cif.	7231025.cif
208639	2018-06-26	cif/ Adding structures of 7231022, 7231023, 7231024, 7231025, 7231026, 7231027, 7231028, 7231029, 7231030 via cif-deposit CGI script.	7231025.cif