Crystallography Open Database

Information card for entry 7001639

Preview

Coordinates	7001639.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H57 Mn2 N16 O18.5 S2
Calculated formula	C66 H57 Mn2 N16 O18.5 S2
Title of publication	Interplay of coordinative and supramolecular interactions in formation of a series of metal‒organic complexes bearing diverse dimensionalities
Authors of publication	Liu, Jian-Qiang; Zhang, Ya-Nan; Wang, Yao-Yu; Jin, Jun-Cheng; Lermontova, Elmira Kh.; Shi, Qi-Zhen
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	27
Pages of publication	5365 - 5378
a	17.074 ± 0.003 Å
b	16.97 ± 0.003 Å
c	22.935 ± 0.004 Å
α	90°
β	99.51 ± 0.003°
γ	90°
Cell volume	6554 ± 2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1866
Residual factor for significantly intense reflections	0.0673
Weighted residual factors for significantly intense reflections	0.1055
Weighted residual factors for all reflections included in the refinement	0.1191
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7001639.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001639.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001639.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001639.cif