Crystallography Open Database

Information card for entry 4512063

4512062 << 4512063 >> 4512064

Preview

Coordinates	4512063.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C380 H412 Cu12 K16 N28 O64 S44
Calculated formula	C380 H412 Cu12 K16 N28 O64 S44
Title of publication	Homonuclear and Heteronuclear Complexes of Calix[4]-bis-monothiacrown-5 with Oligomer and Polymer Structures
Authors of publication	Park, In-Hyeok; Kim, Ja-Yeon; Kim, Kihwan; Lee, Shim Sung
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	11
Pages of publication	6012
a	27.7063 ± 0.0005 Å
b	26.8081 ± 0.0004 Å
c	30.0316 ± 0.0005 Å
α	90°
β	95.639 ± 0.001°
γ	90°
Cell volume	22198.1 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1278
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.1689
Weighted residual factors for all reflections included in the refinement	0.189
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179667 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/20.	4512063.cif
126863	2014-11-11	cif/ Updating files of 4512059, 4512060, 4512061, 4512062, 4512063, 4512064, 4512065 Original log message: Adding full bibliography for 4512059--4512065.cif.	4512063.cif
124476	2014-10-02	cif/ Adding structures of 4512059, 4512060, 4512061, 4512062, 4512063, 4512064, 4512065 via cif-deposit CGI script.	4512063.cif