Crystallography Open Database

Information card for entry 4509934

Preview

Coordinates	4509934.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H21 N7 O4 Zn
Calculated formula	C23 H19 N7 O4 Zn
Title of publication	Interpenetration Control, Sorption Behavior, and Framework Flexibility in Zn(II) Metal‒Organic Frameworks
Authors of publication	Park, Ji Hye; Lee, Woo Ram; Kim, Yeonga; Lee, Hye Jin; Ryu, Dae Won; Phang, Won Ju; Hong, Chang Seop
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	2
Pages of publication	699
a	7.8005 ± 0.0002 Å
b	11.2947 ± 0.0003 Å
c	13.1552 ± 0.0004 Å
α	82.719 ± 0.002°
β	80.499 ± 0.002°
γ	83.194 ± 0.002°
Cell volume	1128.26 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0859
Residual factor for significantly intense reflections	0.0579
Weighted residual factors for significantly intense reflections	0.1298
Weighted residual factors for all reflections included in the refinement	0.1495
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179635 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/99.	4509934.cif
104133	2014-03-10	cif/ Adding structures of 4509932, 4509933, 4509934 via cif-deposit CGI script.	4509934.cif