Crystallography Open Database

Information card for entry 7214569

Preview

Coordinates	7214569.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H24 I2 In4 N6 O27
Calculated formula	C42 H18 I2 In4 N6 O27
Title of publication	Iodine-templated assembly of an In(iii) complex with a single-crystal-to-single-crystal transition
Authors of publication	He, Yuan-Chun; Kan, Wei-Qiu; Guo, Jiao; Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	37
Pages of publication	7406
a	16.063 ± 0.0008 Å
b	16.485 ± 0.0009 Å
c	19.025 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	5037.8 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0863
Residual factor for significantly intense reflections	0.069
Weighted residual factors for significantly intense reflections	0.1732
Weighted residual factors for all reflections included in the refinement	0.1868
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180476 (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 7/21/45.	7214569.cif
110308	2014-04-18	cif/ Adding structures of 7214569 via cif-deposit CGI script.	7214569.cif