Crystallography Open Database

Information card for entry 7224069

Preview

Coordinates	7224069.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	{Co16 Cl4 (HCO2)4 (H2O)4 [C40H44S4O4]4 [C13FH6NO4]4}
Formula	C216 H212 Cl4 Co16 F4 N4 O44 S16
Calculated formula	C216 H194 Cl4 Co16 F4 N4 O44 S16
Title of publication	pH-dependent formation of different coordination cages based on Co4-TC4A secondary building units and bridging ligands
Authors of publication	Hang, Xinxin; Wang, Shentang; Zhu, Xiaofei; Han, Haitao; Liao, Wuping
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	26
Pages of publication	4938
a	42.6717 ± 0.0011 Å
b	26.3547 ± 0.0007 Å
c	33.6116 ± 0.0009 Å
α	90°
β	113.576 ± 0.001°
γ	90°
Cell volume	34644.5 ± 1.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
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	0.0744
Residual factor for significantly intense reflections	0.0638
Weighted residual factors for significantly intense reflections	0.1492
Weighted residual factors for all reflections included in the refinement	0.1543
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
185188 (current)	2016-08-07	cif/ Updating files of 7224069, 7224070, 7224071, 7224072 Original log message: Adding full bibliography for 7224069--7224072.cif.	7224069.cif
175390	2016-02-02	cif/ Adding structures of 7224069, 7224070, 7224071, 7224072 via cif-deposit CGI script.	7224069.cif