Crystallography Open Database

Information card for entry 7703980

Preview

Coordinates	7703980.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H46 N4 O14 Zn3
Calculated formula	C58 H46 N4 O14 Zn3
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	14.5387 ± 0.0004 Å
b	25.0165 ± 0.0008 Å
c	18.1249 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	6592.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0836
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.1708
Weighted residual factors for all reflections included in the refinement	0.1843
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7703980.cif
250432	2020-04-07	cif/ Adding structures of 7703979, 7703980 via cif-deposit CGI script.	7703980.cif