Crystallography Open Database

Information card for entry 4341972

4341971 << 4341972 >> 4341973

Preview

Coordinates	4341972.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C83.95 H89.9 Gd Mn3 N8.95 O17.48
Calculated formula	C83.952 H89.904 Gd Mn3 N8.952 O17.476
Title of publication	Investigations of the Effect of the Non-Manganese Metal in Heterometallic-Oxido Cluster Models of the Oxygen Evolving Complex of Photosystem II: Lanthanides as Substitutes for Calcium.
Authors of publication	Lin, Po-Heng; Takase, Michael K.; Agapie, Theodor
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	1
Pages of publication	59 - 64
a	17.899 ± 0.0007 Å
b	16.8266 ± 0.0006 Å
c	27.7628 ± 0.001 Å
α	90°
β	108.026 ± 0.002°
γ	90°
Cell volume	7951.2 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.039
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0647
Weighted residual factors for all reflections included in the refinement	0.0702
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4341972.cif
130605	2015-02-04	cif/ Updating files of 4341969, 4341970, 4341971, 4341972, 4341973 Original log message: Adding full bibliography for 4341969--4341973.cif.	4341972.cif
128916	2014-12-21	cif/ Adding structures of 4341969, 4341970, 4341971, 4341972, 4341973 via cif-deposit CGI script.	4341972.cif