Crystallography Open Database

Information card for entry 7210078

Preview

Coordinates	7210078.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H174 N14 O16 S2
Calculated formula	C102 H174 N14 O16 S2
Title of publication	From anion complexes to anion coordination polymers (ACPs): assembly with a 1,5-naphthylene bridged bis-bisurea ligand
Authors of publication	Wang, Jiamin; Li, Shaoguang; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	22
Pages of publication	4540
a	9.538 ± 0.012 Å
b	13.957 ± 0.017 Å
c	22 ± 0.03 Å
α	94.69 ± 0.015°
β	100.617 ± 0.017°
γ	99.018 ± 0.016°
Cell volume	2824 ± 6 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1487
Residual factor for significantly intense reflections	0.079
Weighted residual factors for significantly intense reflections	0.1506
Weighted residual factors for all reflections included in the refinement	0.1768
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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
180431 (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 7/21/00.	7210078.cif
87028	2013-07-13	cif/ Adding structures of 7210076, 7210077, 7210078, 7210079, 7210080, 7210081, 7210082, 7210083, 7210084 via cif-deposit CGI script.	7210078.cif