Crystallography Open Database

Information card for entry 4337872

Preview

Coordinates	4337872.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H82 Br2 O32 Pd8 S16
Calculated formula	C49 H72.75 Br2 O32 Pd8 S16
Title of publication	Tiara-like Octanuclear Palladium(II) and Platinum(II) Thiolates and Their Inclusion Complexes with Dihalo- or Iodoalkanes.
Authors of publication	Yamashina, Yukari; Kataoka, Yasutaka; Ura, Yasuyuki
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	7
Pages of publication	3558
a	44.4317 ± 0.0016 Å
b	57.845 ± 0.002 Å
c	13.4171 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	34484 ± 2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0676
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.1542
Weighted residual factors for all reflections included in the refinement	0.167
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
179481 (current)	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 4/33/78.	4337872.cif
109910	2014-04-17	cif/ Updating files of 4337867, 4337868, 4337869, 4337870, 4337871, 4337872, 4337873, 4337874, 4337875, 4337876 Original log message: Adding full bibliography for 4337867--4337876.cif.	4337872.cif
108457	2014-04-02	cif/ Adding structures of 4337867, 4337868, 4337869, 4337870, 4337871, 4337872, 4337873, 4337874, 4337875, 4337876 via cif-deposit CGI script.	4337872.cif