Crystallography Open Database

Information card for entry 7122380

Preview

Coordinates	7122380.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Co-pydc
Formula	C29 H18 Co3 N O16
Calculated formula	C29.0001 H18.0001 Co3 N0.9999 O16
Title of publication	Remoulding a MOF's pores by auxiliary ligand introduction for stability improvement and highly selective CO<sub>2</sub>-capture.
Authors of publication	Zhang, Qing-Qing; Liu, Xiao-Fei; Ma, Lin; Wei, Yong-Sheng; Wang, Zhao-Yang; Xu, Hong; Zang, Shuang-Quan
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	85
Pages of publication	12029 - 12032
a	14.5594 ± 0.0005 Å
b	14.5594 ± 0.0005 Å
c	13.7247 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	2519.54 ± 0.18 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	5
Space group number	190
Hermann-Mauguin space group symbol	P -6 2 c
Hall space group symbol	P -6c -2c
Residual factor for all reflections	0.0285
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0684
Weighted residual factors for all reflections included in the refinement	0.0691
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
228379 (current)	2019-11-17	cif/ Updating files of 7122380, 7122381, 7122382 Original log message: Adding full bibliography for 7122380--7122382.cif.	7122380.cif
211199	2018-09-28	cif/ Adding structures of 7122380, 7122381, 7122382 via cif-deposit CGI script.	7122380.cif