Crystallography Open Database

Information card for entry 7127162

Preview

Coordinates	7127162.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Mn(NCP2)2]
Chemical name	catena-((4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)biphenyl-4-carboxylato)-manganese)
Formula	C52 H30 Mn N8 O4
Calculated formula	C52 H30 Mn N8 O4
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	17.6218 ± 0.0016 Å
b	36.0338 ± 0.0019 Å
c	50.356 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	31975 ± 4 Å³
Cell temperature	123 ± 10 K
Ambient diffraction temperature	123 ± 10 K
Number of distinct elements	5
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.1638
Residual factor for significantly intense reflections	0.0958
Weighted residual factors for significantly intense reflections	0.238
Weighted residual factors for all reflections included in the refinement	0.2762
Goodness-of-fit parameter for all reflections included in the refinement	0.925
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	7127162.cif
255809	2020-09-03	cif/ Adding structures of 7127162, 7127163 via cif-deposit CGI script.	7127162.cif