Crystallography Open Database

Information card for entry 7217127

Preview

Coordinates	7217127.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H28 I4 Mn N5 O2
Calculated formula	C50 H28 I4 Mn N5 O2
Title of publication	The effects of halogen bonding and molecular design on the self-assembly of coordination polymers of Mn(iii)-tetraarylporphyrin with axial bridging ligands
Authors of publication	Nandi, Goutam; Goldberg, Israel
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	36
Pages of publication	8327
a	34.108 ± 0.002 Å
b	9.5282 ± 0.0006 Å
c	19.5702 ± 0.0013 Å
α	90°
β	116.626 ± 0.002°
γ	90°
Cell volume	5685.6 ± 0.6 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0373
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.1006
Weighted residual factors for all reflections included in the refinement	0.1039
Goodness-of-fit parameter for all reflections included in the refinement	0.92
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
180502 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/71.	7217127.cif
123406	2014-09-08	cif/ Updating files of 7217126, 7217127 Original log message: Adding full bibliography for 7217126--7217127.cif.	7217127.cif
120472	2014-07-16	cif/ Adding structures of 7217126, 7217127 via cif-deposit CGI script.	7217127.cif