Crystallography Open Database

Information card for entry 4333933

Preview

Coordinates	4333933.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C119 H88 Cl6 N6 Pt2
Calculated formula	C119 H88 Cl6 N6 Pt2
Title of publication	Synthesis and Characterization of New Platinum(II) and Platinum(IV) Triphyrin Complexes
Authors of publication	Zhaoli Xue; Daiki Kuzuhara; Shinya Ikeda; Tetsuo Okujima; Shigeki Mori; Hidemitsu Uno; Hiroko Yamada
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	1688 - 1690
a	22.2104 ± 0.0005 Å
b	10.30782 ± 0.00019 Å
c	22.8883 ± 0.0005 Å
α	90°
β	117.983 ± 0.0007°
γ	90°
Cell volume	4627.42 ± 0.17 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0632
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.0868
Weighted residual factors for all reflections included in the refinement	0.0931
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
288505 (current)	2023-12-22	Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9880. This change affected only the misspelt variants of the '_iucr_refine_instructions_details' data name.	4333933.cif
179442	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/39.	4333933.cif
99742	2014-02-03	cif/ Adding structures of 4333933 via cif-deposit CGI script.	4333933.cif