Crystallography Open Database

Information card for entry 4501008

Preview

Coordinates	4501008.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H10 Cl2 N10 Zn
Calculated formula	C4 H10 Cl2 N10 Zn
SMILES	[n]1(ncn(c1N)N)[Zn](Cl)([n]1c(n(cn1)N)N)Cl
Title of publication	(Di)-aminoguanidine Functionalization through Transamination: An Avenue to an Auspicious Class of Supramolecular Synthons
Authors of publication	Naik, Anil D.; Tinant, Bernard; Léonard, Alexandre; Marchand-Brynaert, Jacqueline; Su, Bao-Lian; Garcia, Yann
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	9
Pages of publication	4034
a	13.358 ± 0.002 Å
b	9.694 ± 0.005 Å
c	10.999 ± 0.003 Å
α	90°
β	123.03 ± 0.03°
γ	90°
Cell volume	1194.1 ± 0.8 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0409
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.1004
Weighted residual factors for all reflections included in the refinement	0.1017
Goodness-of-fit parameter for all reflections included in the refinement	1.166
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179541 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/10.	4501008.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501008.cif
34724	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4501008 via cif-deposit CGI script.	4501008.cif