Crystallography Open Database

Information card for entry 7127163

Preview

Coordinates	7127163.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Zn(NCP2)2(O2CH)2]
Chemical name	catena-((4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)biphenyl-4-carboxylato)bis(mu2-methanoato)-di-zinc)
Formula	C54 H32 N8 O8 Zn2
Calculated formula	C54 H32 N8 O8 Zn2
Title of publication	Mixed donor, phenanthroline photoactive MOFs with favourable CO<sub>2</sub> selectivity.
Authors of publication	Setter, Caitlin J.; Price, Michael B.; Conte, Luke; Schmitt, Wolfgang; Batten, Stuart R.; Richardson, Christopher; Hill, Matthew R.; Babarao, Ravichandar; Macreadie, Lauren K.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	87
Pages of publication	13377 - 13380
a	8.403 ± 0.0017 Å
b	24.858 ± 0.005 Å
c	33.616 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	7022 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0842
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1316
Weighted residual factors for all reflections included in the refinement	0.1498
Goodness-of-fit parameter for all reflections included in the refinement	0.988
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
260707 (current)	2021-01-07	cif/ Updating files of 7127162, 7127163 Original log message: Adding full bibliography for 7127162--7127163.cif.	7127163.cif
255809	2020-09-03	cif/ Adding structures of 7127162, 7127163 via cif-deposit CGI script.	7127163.cif