Crystallography Open Database

Information card for entry 7219374

7219373 << 7219374 >> 7219375

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Coordinates	7219374.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H56 N6 O12 Zn3
Calculated formula	C46 H56 N6 O12 Zn3
Title of publication	Structural chemistry and selective CO2uptake of a piperazine-derived porous coordination polymer
Authors of publication	Hawes, Chris S.; White, Keith F.; Abrahams, Brendan F.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	10
Pages of publication	2196
a	17.666 ± 0.007 Å
b	24.302 ± 0.006 Å
c	6.013 ± 0.0012 Å
α	90°
β	100.76 ± 0.04°
γ	90°
Cell volume	2536.1 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0778
Residual factor for significantly intense reflections	0.0639
Weighted residual factors for significantly intense reflections	0.1661
Weighted residual factors for all reflections included in the refinement	0.1758
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.7109 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180524 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/93.	7219374.cif
133176	2015-03-06	cif/ Updating files of 7219372, 7219373, 7219374 Original log message: Adding full bibliography for 7219372--7219374.cif.	7219374.cif
130087	2015-01-24	cif/ Adding structures of 7219372, 7219373, 7219374 via cif-deposit CGI script.	7219374.cif