Crystallography Open Database

Information card for entry 7003191

Preview

Coordinates	7003191.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H86 F12 N8 O12 P2 Zn4
Calculated formula	C64 H86 F12 N8 O12 P2 Zn4
Title of publication	Symmetrical and unsymmetrical dizinc complexes as models for the active sites of hydrolytic enzymes
Authors of publication	Jarenmark, Martin; Kappen, Sascha; Haukka, Matti; Nordlander, Ebbe
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	8
Pages of publication	993 - 996
a	24.508 ± 0.0005 Å
b	14.4476 ± 0.0003 Å
c	21.2277 ± 0.0003 Å
α	90°
β	93.315 ± 0.001°
γ	90°
Cell volume	7503.8 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0735
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1145
Weighted residual factors for all reflections included in the refinement	0.1301
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
179735 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/31.	7003191.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003191.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003191.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003191.cif