Crystallography Open Database

Information card for entry 7029526

Preview

Coordinates	7029526.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H88 N4 O2 Pt
Calculated formula	C72 H88 N4 O2 Pt
Title of publication	Protecting the triplet excited state in sterically congested platinum porphyrin.
Authors of publication	Moiseev, A. G.; Margulies, E. A.; Schneider, J. A.; Bélanger-Gariépy, F; Perepichka, D. F.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	6
Pages of publication	2676 - 2683
a	28.8481 ± 0.0005 Å
b	28.8481 ± 0.0005 Å
c	14.8117 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	12326.5 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0317
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0778
Weighted residual factors for all reflections included in the refinement	0.0809
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180001 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/95.	7029526.cif
108338	2014-03-30	cif/ Adding structures of 7029526 via cif-deposit CGI script.	7029526.cif