Crystallography Open Database

Information card for entry 7210559

Preview

Coordinates	7210559.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H12 O15 Pr2 S3
Calculated formula	C18 H12 O15 Pr2 S3
Title of publication	Three-dimensional pillared layered supramolecular networks comprising polymeric layers and tetrameric {H2O}4 pillars
Authors of publication	Li, Zhao-Hao; Zhang, Tian; Xue, Li-Ping; Miao, Shao-Bin; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	37
Pages of publication	7423
a	9.0148 ± 0.0015 Å
b	10.4259 ± 0.0018 Å
c	13.458 ± 0.002 Å
α	100.259 ± 0.002°
β	102.113 ± 0.002°
γ	103.114 ± 0.002°
Cell volume	1170.1 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0237
Residual factor for significantly intense reflections	0.0216
Weighted residual factors for significantly intense reflections	0.0554
Weighted residual factors for all reflections included in the refinement	0.0568
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
180436 (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 7/21/05.	7210559.cif
88809	2013-10-09	cif/ Adding structures of 7210558, 7210559, 7210560 via cif-deposit CGI script.	7210559.cif