Crystallography Open Database

Information card for entry 7018954

Preview

Coordinates	7018954.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H40 Cl6 Co N8 O3 Pd3
Calculated formula	C36 H24 Cl6 Co N8 Pd3
SMILES	[Pd]12345[Pd]6([n]7c(c8[n]6c6n3c(c3[n]2cccc3)ccc6cc8)cccc7)([Pd]21([n]1c(c3[n]2c2n5c(c5[n]4cccc5)ccc2cc3)cccc1)Cl)Cl.[Co](Cl)(Cl)([Cl-])[Cl-]
Title of publication	A water soluble and air-stable tripalladium cluster
Authors of publication	Yang, Fu-Ming; Chen, Po-Yuan; Lee, Chun-Chin; Liu, Yi-Hung; Peng, Shie-Ming; Chou, Pi-Tai; Liu, Shiuh-Tzung
Journal of publication	Dalton Transactions
Year of publication	2012
Journal volume	41
Journal issue	19
Pages of publication	5782
a	19.4036 ± 0.0003 Å
b	18.7413 ± 0.0002 Å
c	23.7872 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	8650.2 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0361
Residual factor for significantly intense reflections	0.0241
Weighted residual factors for significantly intense reflections	0.0654
Weighted residual factors for all reflections included in the refinement	0.0677
Goodness-of-fit parameter for all reflections included in the refinement	0.915
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
179893 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/89.	7018954.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018954.cif
56006	2012-05-08	cif/ Adding structures of 7018953, 7018954 via cif-deposit CGI script.	7018954.cif