Crystallography Open Database

Information card for entry 7122382

Preview

Coordinates	7122382.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Co-pydc-TPB
Formula	C50.01 H28 Co3 N4 O13
Calculated formula	C50.01 H28 Co3 N3.9999 O13
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	14.339 ± 0.0002 Å
b	14.339 ± 0.0002 Å
c	14.359 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	2556.78 ± 0.07 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 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	0.0695
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.1835
Weighted residual factors for all reflections included in the refinement	0.1914
Goodness-of-fit parameter for all reflections included in the refinement	1.114
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	7122382.cif
211199	2018-09-28	cif/ Adding structures of 7122380, 7122381, 7122382 via cif-deposit CGI script.	7122382.cif