Crystallography Open Database

Information card for entry 7023648

Preview

Coordinates	7023648.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H25 Cl N O P Pd
Calculated formula	C27 H25 Cl N O P Pd
SMILES	[Pd]1(c2c(C=[N]1CCO)cccc2)(Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Metal array fabrication based on ultrasound-induced self-assembly of metalated dipeptides.
Authors of publication	Isozaki, Katsuhiro; Haga, Yusuke; Ogata, Kazuki; Naota, Takeshi; Takaya, Hikaru
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	45
Pages of publication	15953 - 15966
a	18.121 ± 0.009 Å
b	9.62 ± 0.005 Å
c	27.973 ± 0.015 Å
α	90°
β	90°
γ	90°
Cell volume	4876 ± 4 Å³
Cell temperature	223.1 K
Ambient diffraction temperature	223.1 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 significantly intense reflections	0.0606
Weighted residual factors for all reflections included in the refinement	0.1503
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7023648.cif
90595	2013-11-18	cif/ Adding structures of 7023648, 7023649 via cif-deposit CGI script.	7023648.cif