Crystallography Open Database

Information card for entry 8102021

8102020 << 8102021 >> 8102022

Preview

Coordinates	8102021.cif

Structure parameters

Chemical name	dicyano-(N-(1-iminoethyl)acetamidine)palladium(II)
Formula	C6 H9 N5 Pd
Calculated formula	C6 H9 N5 Pd
SMILES	[Pd]1([NH]=C(NC(=[NH]1)C)C)(C#N)C#N
Title of publication	Crystal structure of dicyano(N-(1-iminoethyl)-acetamidine)palladium (II), Pd(CN)~2~(C~4~H~9~N~3~)
Authors of publication	Keller, H.-L.; Oldag, T.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2006
Journal volume	221
Journal issue	3
Pages of publication	379 - 380
a	6.9056 ± 0.0014 Å
b	7.371 ± 0.0015 Å
c	8.7838 ± 0.0018 Å
α	80.67 ± 0.03°
β	82.27 ± 0.03°
γ	73.3 ± 0.03°
Cell volume	420.75 ± 0.17 Å³
Cell temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for all reflections included in the refinement	0.0776
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
176466 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102021.cif
107950	2014-03-25	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8102021.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102021.cif
12760	2011-03-05	../uploads/cif-deposit/cod/cif Adding structures of 8102021 via cif-deposit CGI script.	8102021.cif