Crystallography Open Database

Information card for entry 7049139

Preview

Coordinates	7049139.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H21 Cd N6 O5.5 S2
Calculated formula	C22 H13 Cd N5 O4 S2
Title of publication	Amino functionalized Zn/Cd-metal-organic frameworks for selective CO<sub>2</sub> adsorption and Knoevenagel condensation reactions.
Authors of publication	Zhai, Zhi-Wei; Yang, Shuang-Hua; Lv, Ya-Ru; Du, Chen-Xia; Li, Lin-Ke; Zang, Shuang-Quan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	12
Pages of publication	4007 - 4014
a	13.5652 ± 0.0001 Å
b	14.4023 ± 0.0001 Å
c	13.9352 ± 0.0001 Å
α	90°
β	100.804 ± 0.001°
γ	90°
Cell volume	2674.26 ± 0.03 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 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	0.0428
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.112
Weighted residual factors for all reflections included in the refinement	0.114
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
224573 (current)	2019-11-08	cif/ Updating files of 7049138, 7049139 Original log message: Adding full bibliography for 7049138--7049139.cif.	7049139.cif
213844	2019-02-26	cif/ Adding structures of 7049138, 7049139 via cif-deposit CGI script.	7049139.cif