Crystallography Open Database

Information card for entry 4348422

Preview

Coordinates	4348422.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H58 N11 O15.5 Zn2
Calculated formula	C61 H46.5 N11 O15.5 Zn2
Title of publication	Amide-containing zinc(ii) metal‒organic layered networks: a structure‒CO2 capture relationship
Authors of publication	Lee, Cheng-Hua; Wu, Jing-Yun; Lee, Gene-Hsiang; Peng, Shie-Ming; Jiang, Jyh-Chiang; Lu, Kuang-Lieh
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2015
Journal volume	2
Journal issue	5
Pages of publication	477
a	10.0677 ± 0.0003 Å
b	15.6039 ± 0.0005 Å
c	20.1092 ± 0.0005 Å
α	78.1845 ± 0.001°
β	83.2542 ± 0.0011°
γ	73.8005 ± 0.0013°
Cell volume	2963.23 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0844
Residual factor for significantly intense reflections	0.0669
Weighted residual factors for significantly intense reflections	0.1773
Weighted residual factors for all reflections included in the refinement	0.1893
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4348422.html