Crystallography Open Database

Information card for entry 7021777

Preview

Coordinates	7021777.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H153 Mn2 N3 Na2 O21
Calculated formula	C120 H153 Mn2 N3 Na2 O21
Title of publication	A new type of paddle-wheel coordination complex.
Authors of publication	Barrios, Leoní A; Borilovic, Ivana; Salinas Uber, Jorge; Aguilà, David; Roubeau, Olivier; Aromí, Guillem
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	34
Pages of publication	12185 - 12192
a	17.8546 ± 0.0011 Å
b	17.8546 ± 0.0011 Å
c	19.9647 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	5511.8 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.077
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1536
Weighted residual factors for all reflections included in the refinement	0.1692
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179922 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/17.	7021777.cif
87684	2013-08-27	cif/ Adding structures of 7021777, 7021778 via cif-deposit CGI script.	7021777.cif