Crystallography Open Database

Information card for entry 1550597

Preview

Coordinates	1550597.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H20 Cl2 Cu N4 O
Calculated formula	C6 H20 Cl2 Cu N4 O
SMILES	C1C[NH]2CC[NH]3CC[NH2][Cu]23(Cl)[NH2]1.[Cl-].O
Title of publication	Active uptake of hydrophilic copper complex Cu(ii)-TETA in primary cultures of neonatal rat cardiomyocytes.
Authors of publication	Fu, Chunyan; Lizhao, Junhong; Luo, Zhenghui; Wang, Tao; Grapperhaus, Craig A.; Ding, Xueqin; Kang, Y. James
Journal of publication	Metallomics : integrated biometal science
Year of publication	2019
Journal volume	11
Journal issue	3
Pages of publication	565 - 575
a	7.0684 ± 0.0002 Å
b	10.5124 ± 0.0004 Å
c	16.554 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1230.06 ± 0.07 Å³
Cell temperature	143 ± 0.1 K
Ambient diffraction temperature	143 ± 0.1 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0364
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0651
Weighted residual factors for all reflections included in the refinement	0.0679
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation probe	x-ray
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
224654 (current)	2019-11-08	cif/ Updating files of 1550597 Original log message: Adding full bibliography for 1550597.cif.	1550597.cif
213655	2019-02-15	cif/ Adding structures of 1550597 via cif-deposit CGI script.	1550597.cif