Crystallography Open Database

Information card for entry 7703387

Preview

Coordinates	7703387.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H18 Br2 Mn N4 O
Calculated formula	C21 H18 Br2 Mn N4 O
Title of publication	1-D manganese(ii)-terpyridine coordination polymers as precatalysts for hydrofunctionalisation of carbonyl compounds.
Authors of publication	Zhang, Guoqi; Zeng, Haisu; Li, Sihan; Johnson, Jahvon; Mo, Zixuan; Neary, Michelle C.; Zheng, Shengping
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	8
Pages of publication	2610 - 2615
a	8.8113 ± 0.0002 Å
b	10.2327 ± 0.0003 Å
c	11.4867 ± 0.0003 Å
α	95.176 ± 0.001°
β	91.449 ± 0.001°
γ	94.407 ± 0.001°
Cell volume	1027.87 ± 0.05 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0535
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0667
Weighted residual factors for all reflections included in the refinement	0.0726
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
248914 (current)	2020-03-05	cif/ Updating files of 7703386, 7703387 Original log message: Adding full bibliography for 7703386--7703387.cif.	7703387.cif
247364	2020-01-30	cif/ Adding structures of 7703386, 7703387 via cif-deposit CGI script.	7703387.cif