Crystallography Open Database

Information card for entry 7118539

Preview

Coordinates	7118539.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 N2 O7 Zn
Calculated formula	C22 H20 N2 O7 Zn
Title of publication	Hydration-dependent anomalous thermal expansion behaviour in a coordination polymer.
Authors of publication	Lama, Prem; Alimi, Lukman O.; Das, Raj Kumar; Barbour, Leonard J.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	15
Pages of publication	3231 - 3234
a	19.1211 ± 0.001 Å
b	7.8289 ± 0.0004 Å
c	13.7769 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2062.36 ± 0.19 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.028
Residual factor for significantly intense reflections	0.0258
Weighted residual factors for significantly intense reflections	0.0669
Weighted residual factors for all reflections included in the refinement	0.068
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
177661 (current)	2016-03-05	cif/ Updating files of 7118534, 7118535, 7118536, 7118537, 7118538, 7118539, 7118540, 7118541, 7118542, 7118543, 7118544, 7118545, 7118546, 7118547, 7118548, 7118549, 7118550, 7118551, 7118552 Original log message: Adding full bibliography for 7118534--7118552.cif.	7118539.cif
174650	2016-01-21	cif/ Adding structures of 7118534, 7118535, 7118536, 7118537, 7118538, 7118539, 7118540, 7118541, 7118542, 7118543, 7118544, 7118545, 7118546, 7118547, 7118548, 7118549, 7118550, 7118551, 7118552 via cif-deposit CGI script.	7118539.cif