Crystallography Open Database

Information card for entry 1516468

Preview

Coordinates	1516468.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H44 K N4 O11.5
Calculated formula	C36 H35 K N4 O11.5
Title of publication	Blue transition metal complexes of a natural bilin-type chlorophyll catabolite
Authors of publication	Li, Chengjie; Ulrich, Markus; Liu, Xiujun; Wurst, Klaus; Müller, Thomas; Kräutler, Bernhard
Journal of publication	Chemical Science
Year of publication	2014
Journal volume	5
Journal issue	9
Pages of publication	3388
a	11.7592 ± 0.0008 Å
b	12.747 ± 0.0009 Å
c	13.3933 ± 0.0009 Å
α	98.948 ± 0.004°
β	100.21 ± 0.004°
γ	97.418 ± 0.003°
Cell volume	1926.2 ± 0.2 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 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	0.1111
Residual factor for significantly intense reflections	0.0769
Weighted residual factors for significantly intense reflections	0.1824
Weighted residual factors for all reflections included in the refinement	0.1968
Goodness-of-fit parameter for all reflections included in the refinement	1.109
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1516468.cif
121567	2014-08-08	cif/ Updating files of 1516468 Original log message: Adding full bibliography for 1516468.cif.	1516468.cif
115047	2014-06-02	cif/ Adding structures of 1516468 via cif-deposit CGI script.	1516468.cif