Crystallography Open Database

Information card for entry 8000125

Preview

Coordinates	8000125.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H73 Cl3 F9 La N6 O20 S3
Calculated formula	C88 H73 Cl3 F9 La N6 O20 S3
Title of publication	Construction and Structural Investigation of Helical Coordination Network Formed by the Self-assembly of Triple Helicate with Macrocyclic Framework and Lanthanum Cations
Authors of publication	Tominaga, Masahide; Masu, Hyuma; Yamaguchi, Kentaro; Azumaya, Isao
Journal of publication	Chemistry Letters
Year of publication	2006
Journal volume	35
Journal issue	7
Pages of publication	718
a	13.7251 ± 0.0014 Å
b	18.1828 ± 0.0016 Å
c	20.7849 ± 0.0016 Å
α	109.059 ± 0.004°
β	98.172 ± 0.005°
γ	94.173 ± 0.004°
Cell volume	4813.4 ± 0.8 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1457
Residual factor for significantly intense reflections	0.0835
Weighted residual factors for significantly intense reflections	0.2067
Weighted residual factors for all reflections included in the refinement	0.2356
Goodness-of-fit parameter for all reflections included in the refinement	0.986
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8000125.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8000125.cif
94273	2014-01-22	cif/ Adding structures of 8000125 via cif-deposit CGI script.	8000125.cif