Crystallography Open Database

Information card for entry 7039243

Preview

Coordinates	7039243.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Gd12
Chemical name	Gd12
Formula	C172 H418 Co Gd12 N24 O114 P12
Calculated formula	C132 H250 Co Gd12 N11.9988 O104 P12
Title of publication	A pseudo-icosahedral cage {Gd12} based on aminomethylphosphonate.
Authors of publication	Zhang, Ze-Min; Zangana, Karzan H.; Kostopoulos, Andreas K.; Tong, Ming-Liang; Winpenny, Richard E. P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	22
Pages of publication	9041 - 9044
a	28.0168 ± 0.001 Å
b	28.0168 ± 0.001 Å
c	21.7936 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	17106.7 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.02 ± 0.1 K
Number of distinct elements	7
Space group number	131
Hermann-Mauguin space group symbol	P 42/m m c
Hall space group symbol	-P 4c 2
Residual factor for all reflections	0.142
Residual factor for significantly intense reflections	0.0803
Weighted residual factors for significantly intense reflections	0.2343
Weighted residual factors for all reflections included in the refinement	0.2654
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
185313 (current)	2016-08-07	cif/ Updating files of 7039243 Original log message: Adding full bibliography for 7039243.cif.	7039243.cif
182876	2016-05-11	cif/ Adding structures of 7039243 via cif-deposit CGI script.	7039243.cif