Crystallography Open Database

Information card for entry 7703979

Preview

Coordinates	7703979.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H46 Mn3 N4 O14
Calculated formula	C58 H46 Mn3 N4 O14
Title of publication	Trinuclear Mn<sup>2+</sup>/Zn<sup>2+</sup> based microporous coordination polymers as efficient catalysts for ipso-hydroxylation of boronic acids.
Authors of publication	Bora, Sanchay J.; Paul, Rima; Dutta, Anurag; Goswami, Shyam; Guha, Ankur K.; Thakur, Ashim J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	17
Pages of publication	5454 - 5462
a	14.5419 ± 0.0009 Å
b	25.0959 ± 0.0017 Å
c	18.1368 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	6618.9 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1049
Residual factor for significantly intense reflections	0.0826
Weighted residual factors for significantly intense reflections	0.2459
Weighted residual factors for all reflections included in the refinement	0.2731
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
252760 (current)	2020-06-05	cif/ Updating files of 7703979, 7703980 Original log message: Adding full bibliography for 7703979--7703980.cif.	7703979.cif
250432	2020-04-07	cif/ Adding structures of 7703979, 7703980 via cif-deposit CGI script.	7703979.cif