Crystallography Open Database

Information card for entry 7710174

Preview

Coordinates	7710174.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H9 Cl N4 O9 Ru
Calculated formula	C12 H9 Cl N4 O9 Ru
SMILES	[Ru]12(Cl)(OC(=O)C(n3[n]2cc(C(=O)O)c3)n2[n]1cc(c2)C(=O)O)(C#[O])C#[O].O
Title of publication	Bis(4-carboxylpyrazol-1-yl)acetic acid: a scorpionate ligand for complexes with improved water solubility.
Authors of publication	Tzegai, Wintana; Reil, Michaela; Burzlaff, Nicolai
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	17
Pages of publication	6839 - 6845
a	12.501 ± 0.0002 Å
b	14.0811 ± 0.0002 Å
c	9.1841 ± 0.0001 Å
α	90°
β	93.036 ± 0.001°
γ	90°
Cell volume	1614.39 ± 0.04 Å³
Cell temperature	99.9 ± 0.4 K
Ambient diffraction temperature	99.9 ± 0.4 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.03
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0759
Weighted residual factors for all reflections included in the refinement	0.0768
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
274857 (current)	2022-05-04	cif/ Adding structures of 7710170, 7710171, 7710172, 7710173, 7710174 via cif-deposit CGI script.	7710174.cif