Crystallography Open Database

Information card for entry 4501108

Preview

Coordinates	4501108.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H28 B F4 Mn N7 O4
Calculated formula	C27 H25 B F4 Mn N7 O4
Title of publication	Metal-Directed Assembly of Hexameric Ring, Dimeric Ring and 1D Chain from a Branched Tripodal Ligand
Authors of publication	Liu, Yu; Pan, Mei; Li, Kang; Yan, Cheng; Shen, Yong; Zhao, Cun-Yuan; Wang, Wei; Su, Cheng-Yong
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	11
Pages of publication	4876
a	11.9008 ± 0.0007 Å
b	12.8446 ± 0.0005 Å
c	18.4671 ± 0.0009 Å
α	90°
β	101.537 ± 0.005°
γ	90°
Cell volume	2765.9 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1434
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.1164
Weighted residual factors for all reflections included in the refinement	0.1331
Goodness-of-fit parameter for all reflections included in the refinement	0.918
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
179542 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/11.	4501108.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501108.cif
34755	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4501101, 4501102, 4501103, 4501104, 4501105, 4501106, 4501107, 4501108, 4501109, 4501110 via cif-deposit CGI script.	4501108.cif