Crystallography Open Database

Information card for entry 7112951

Preview

Coordinates	7112951.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H40 Cu1.25 Er1.25 N5 O10
Calculated formula	C60 H40 Cu1.25 Er1.25 N5 O10
Title of publication	The first three-fold interpenetrated framework with two different four-connected uniform nets of 6(6) dia and new chiral 8(6) mdf networks.
Authors of publication	Wang, Zhi-Long; Fang, Wei-Hui; Yang, Guo-Yu
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	43
Pages of publication	8216 - 8218
a	25.455 ± 0.0008 Å
b	25.455 ± 0.0008 Å
c	15.9224 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	10317 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0433
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0852
Weighted residual factors for all reflections included in the refinement	0.098
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
180243 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/29.	7112951.cif
112178	2014-04-30	cif/ Adding structures of 7112950, 7112951 via cif-deposit CGI script.	7112951.cif